Vitas-M small molecule compound
5',6'-dimethoxy-1'-[(4-methylphenyl)sulfonyl]-2',3',8',8a'-tetrahydro-1'H,4H-spiro[cyclohexa-2,5-diene-1,7'-cyclopenta[ij]isoquinolin]-4-one
Catalog ID
STK383419
SMILES COc1c(OC)cc2c3c1C1(C=CC(=O)C=C1)CC3N(CC2)S(=O)(=O)c1ccc(cc1)C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C25H25NO5S MW 451.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25NO5S/c1-16-4-6-19(7-5-16)32(28,29)26-13-10-17-14-21(30-2)24(31-3)23-22(17)20(26)15-25(23)11-8-18(27)9-12-25/h4-9,11-12,14,20H,10,13,15H2,1-3H3InChIKey
CVINIVPINGHVBF-UHFFFAOYSA-NSynonyms
56dimethoxy1((4methylphenyl)sulfonyl)2388atetrahydro1H4Hspiro(cyclohexa25diene17cyclopenta(ij)isoquinolin)4one
CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC(=C(C4=C3C2CC45C=CC(=O)C=C5)OC)OC
InChI=1SC25H25NO5Sc1164619(7516)32(2829)261310171421(302)24(313)2322(17)20(26)1525(23)11818(27)91225h4911121420H101315H213H3
MFCD03716128
ZINC000001111934
ZINC000001111936
Check stock
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Check stock on Vitas-MAvailable files
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